Y17
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | N02 | sing | 1.46Å | 1.49Å | |
| N02 | C22 | sing | 1.47Å | 1.43Å | |
| N02 | C03 | sing | 1.34Å | 1.36Å | |
| C22 | C05 | sing | 1.54Å | 1.58Å | |
| O23 | C03 | doub | 1.21Å | 1.23Å | |
| C03 | C04 | sing | 1.51Å | 1.52Å | |
| C04 | C05 | sing | 1.55Å | 1.50Å | |
| C05 | C06 | sing | 1.53Å | 1.57Å | |
| C06 | C07 | sing | 1.53Å | 1.52Å | |
| C07 | N08 | sing | 1.46Å | 1.49Å | |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.39Å | 1.43Å | Aromatic |
| N08 | C09 | sing | 1.38Å | 1.42Å | Aromatic |
| N08 | C16 | sing | 1.34Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C09 | C14 | doub | 1.41Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.51Å | 1.49Å | |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.46Å | 1.46Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.42Å | Aromatic |
| C15 | C20 | sing | 1.47Å | 1.45Å | |
| C18 | N19 | sing | 1.46Å | 1.49Å | |
| C20 | N19 | sing | 1.35Å | 1.41Å | |
| C20 | O21 | doub | 1.22Å | 1.24Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | C22 | 118.6° | 124.4° |
| C01 | N02 | C03 | 131.0° | 124.3° |
| N02 | C01 | H013 | 109.5° | 109.6° |
| N02 | C01 | H011 | 109.5° | 109.5° |
| N02 | C01 | H012 | 109.5° | 109.5° |
| C22 | N02 | C03 | 110.4° | 111.3° |
| N02 | C22 | C05 | 104.8° | 105.5° |
| N02 | C22 | H221 | 110.6° | 110.2° |
| N02 | C22 | H222 | 110.6° | 110.4° |
| N02 | C03 | O23 | 122.5° | 125.0° |
| N02 | C03 | C04 | 110.4° | 110.1° |
| C22 | C05 | C04 | 102.0° | 101.8° |
| C22 | C05 | C06 | 113.9° | 111.0° |
| C22 | C05 | H051 | 109.6° | 111.0° |
| C05 | C22 | H221 | 110.6° | 110.2° |
| C05 | C22 | H222 | 110.6° | 110.3° |
| O23 | C03 | C04 | 127.2° | 124.9° |
| C03 | C04 | C05 | 102.7° | 104.2° |
| C03 | C04 | H041 | 111.2° | 110.6° |
| C03 | C04 | H042 | 111.2° | 110.5° |
| C04 | C05 | C06 | 111.0° | 111.0° |
| C05 | C04 | H041 | 111.2° | 110.5° |
| C05 | C04 | H042 | 111.1° | 110.4° |
| C04 | C05 | H051 | 110.5° | 111.0° |
| C05 | C06 | C07 | 115.9° | 109.5° |
| C06 | C05 | H051 | 109.7° | 110.8° |
| C05 | C06 | H062 | 107.8° | 109.5° |
| C05 | C06 | H061 | 107.9° | 109.5° |
| C06 | C07 | N08 | 113.9° | 109.5° |
| C07 | C06 | H062 | 107.8° | 109.5° |
| C07 | C06 | H061 | 107.9° | 109.4° |
| C06 | C07 | H071 | 108.4° | 109.5° |
| C06 | C07 | H072 | 108.3° | 109.4° |
| C07 | N08 | C09 | 125.6° | 124.8° |
| C07 | N08 | C16 | 125.5° | 124.8° |
| N08 | C07 | H071 | 108.4° | 109.5° |
| N08 | C07 | H072 | 108.4° | 109.5° |
| C11 | C10 | C09 | 118.3° | 120.1° |
| C10 | C11 | C12 | 121.2° | 120.5° |
| C11 | C10 | H101 | 120.9° | 119.9° |
| C10 | C11 | H111 | 119.4° | 119.8° |
| C10 | C09 | N08 | 130.3° | 132.9° |
| C10 | C09 | C14 | 121.8° | 119.5° |
| C09 | C10 | H101 | 120.9° | 120.0° |
| C09 | N08 | C16 | 108.9° | 110.4° |
| N08 | C09 | C14 | 107.9° | 107.7° |
| N08 | C16 | C17 | 128.0° | 129.9° |
| N08 | C16 | C15 | 109.3° | 109.3° |
| C11 | C12 | C13 | 120.4° | 120.4° |
| C12 | C11 | H111 | 119.4° | 119.7° |
| C11 | C12 | H121 | 119.8° | 119.8° |
| C09 | C14 | C15 | 106.1° | 105.5° |
| C09 | C14 | C13 | 118.4° | 119.7° |
| C17 | C16 | C15 | 122.6° | 120.8° |
| C16 | C17 | C18 | 111.5° | 108.8° |
| C16 | C17 | H172 | 109.0° | 109.6° |
| C16 | C17 | H171 | 108.9° | 109.6° |
| C16 | C15 | C14 | 107.7° | 107.1° |
| C16 | C15 | C20 | 120.9° | 121.2° |
| C17 | C18 | N19 | 113.6° | 112.8° |
| C18 | C17 | H172 | 108.9° | 109.5° |
| C18 | C17 | H171 | 109.0° | 109.6° |
| C17 | C18 | H182 | 108.4° | 108.8° |
| C17 | C18 | H181 | 108.4° | 108.8° |
| C12 | C13 | C14 | 120.0° | 119.9° |
| C13 | C12 | H121 | 119.8° | 119.9° |
| C12 | C13 | H131 | 120.0° | 120.0° |
| C15 | C14 | C13 | 135.5° | 134.8° |
| C14 | C15 | C20 | 131.4° | 131.6° |
| C14 | C13 | H131 | 120.0° | 120.0° |
| C15 | C20 | N19 | 118.1° | 116.7° |
| C15 | C20 | O21 | 123.6° | 121.6° |
| C18 | N19 | C20 | 121.1° | 122.4° |
| N19 | C18 | H182 | 108.4° | 108.9° |
| N19 | C18 | H181 | 108.4° | 108.8° |
| C18 | N19 | H191 | 119.5° | 118.8° |
| N19 | C20 | O21 | 118.2° | 121.7° |
| C20 | N19 | H191 | 119.5° | 118.8° |
| H013 | C01 | H011 | 109.4° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.4° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.4° | 110.5° |
| H062 | C06 | H061 | 109.5° | 109.4° |
| H071 | C07 | H072 | 109.5° | 109.4° |
| H172 | C17 | H171 | 109.5° | 109.7° |
| H182 | C18 | H181 | 109.5° | 108.7° |
| H221 | C22 | H222 | 109.5° | 110.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | C22 | C03 | 180.0° | 180.0° |
| C01 | N02 | C22 | C05 | 161.1° | 163.0° |
| C01 | N02 | C03 | O23 | 0.8° | 0.7° |
| C01 | N02 | C03 | C04 | 179.9° | 179.6° |
| N02 | C01 | H013 | H011 | 120.0° | 120.0° |
| N02 | C01 | H013 | H012 | 120.0° | 120.0° |
| N02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C01 | N02 | C22 | H221 | 79.6° | 44.0° |
| C01 | N02 | C22 | H222 | 41.9° | 77.9° |
| N02 | C22 | C05 | H221 | 119.3° | 118.9° |
| N02 | C22 | C05 | H222 | 119.3° | 119.1° |
| C22 | N02 | C03 | O23 | 179.2° | 179.3° |
| C22 | N02 | C03 | C04 | 0.1° | 0.4° |
| N02 | C22 | C05 | C04 | 30.1° | 25.4° |
| N02 | C22 | C05 | C06 | 149.7° | 143.6° |
| C22 | N02 | C01 | H013 | 180.0° | 90.0° |
| C22 | N02 | C01 | H011 | 60.0° | 150.0° |
| C22 | N02 | C01 | H012 | 60.0° | 30.1° |
| N02 | C22 | C05 | H051 | 87.1° | 92.7° |
| N02 | C22 | H221 | H222 | 122.2° | 122.0° |
| C03 | N02 | C22 | C05 | 18.9° | 17.0° |
| N02 | C03 | O23 | C04 | 179.1° | 179.7° |
| N02 | C03 | C04 | C05 | 19.7° | 16.2° |
| C03 | N02 | C01 | H013 | 0.0° | 90.0° |
| C03 | N02 | C01 | H011 | 120.0° | 30.0° |
| C03 | N02 | C01 | H012 | 120.0° | 150.0° |
| N02 | C03 | C04 | H041 | 138.7° | 134.9° |
| N02 | C03 | C04 | H042 | 99.1° | 102.4° |
| C03 | N02 | C22 | H221 | 100.4° | 136.0° |
| C03 | N02 | C22 | H222 | 138.1° | 102.0° |
| C22 | C05 | C04 | C03 | 28.9° | 24.8° |
| C22 | C05 | C04 | C06 | 121.6° | 118.1° |
| C22 | C05 | C04 | H051 | 116.4° | 118.2° |
| C22 | C05 | C06 | H051 | 123.1° | 123.8° |
| C22 | C05 | C06 | C07 | 171.4° | 178.8° |
| C22 | C05 | C04 | H041 | 147.9° | 143.5° |
| C22 | C05 | C04 | H042 | 90.0° | 93.9° |
| C22 | C05 | C06 | H062 | 67.7° | 58.8° |
| C22 | C05 | C06 | H061 | 50.4° | 61.1° |
| C05 | C22 | H221 | H222 | 122.2° | 122.0° |
| O23 | C03 | C04 | C05 | 159.5° | 164.0° |
| O23 | C03 | C04 | H041 | 40.5° | 45.3° |
| O23 | C03 | C04 | H042 | 81.6° | 77.4° |
| C03 | C04 | C05 | H041 | 118.9° | 118.7° |
| C03 | C04 | C05 | H042 | 118.9° | 118.7° |
| C03 | C04 | C05 | C06 | 150.6° | 142.9° |
| C03 | C04 | H041 | H042 | 123.2° | 122.7° |
| C03 | C04 | C05 | H051 | 87.5° | 93.4° |
| C04 | C05 | C06 | H051 | 122.5° | 123.8° |
| C04 | C05 | C06 | C07 | 74.2° | 66.4° |
| C05 | C04 | H041 | H042 | 123.1° | 122.5° |
| C04 | C05 | C06 | H062 | 46.7° | 53.6° |
| C04 | C05 | C06 | H061 | 164.8° | 173.6° |
| C04 | C05 | C22 | H221 | 89.2° | 144.4° |
| C04 | C05 | C22 | H222 | 149.3° | 93.7° |
| C05 | C06 | C07 | H062 | 120.9° | 120.0° |
| C05 | C06 | C07 | H061 | 121.0° | 120.1° |
| C05 | C06 | C07 | N08 | 39.7° | 180.0° |
| C06 | C05 | C04 | H041 | 90.5° | 98.3° |
| C06 | C05 | C04 | H042 | 31.6° | 24.2° |
| C05 | C06 | H062 | H061 | 117.1° | 120.0° |
| C05 | C06 | C07 | H071 | 81.0° | 60.0° |
| C05 | C06 | C07 | H072 | 160.3° | 60.0° |
| C06 | C05 | C22 | H221 | 30.5° | 97.5° |
| C06 | C05 | C22 | H222 | 91.0° | 24.4° |
| C06 | C07 | N08 | H071 | 120.7° | 120.1° |
| C06 | C07 | N08 | H072 | 120.6° | 119.9° |
| C06 | C07 | N08 | C09 | 57.7° | 90.0° |
| C06 | C07 | N08 | C16 | 121.8° | 89.6° |
| C07 | C06 | C05 | H051 | 48.2° | 57.3° |
| C07 | C06 | H062 | H061 | 117.1° | 119.9° |
| C06 | C07 | H071 | H072 | 118.0° | 119.9° |
| C07 | N08 | C09 | C10 | 0.1° | 0.2° |
| C07 | N08 | C09 | C16 | 179.6° | 179.6° |
| C07 | N08 | C09 | C14 | 179.4° | 180.0° |
| C07 | N08 | C16 | C17 | 0.2° | 0.1° |
| C07 | N08 | C16 | C15 | 178.9° | 179.9° |
| N08 | C07 | C06 | H062 | 160.6° | 59.9° |
| N08 | C07 | C06 | H061 | 81.3° | 60.0° |
| N08 | C07 | H071 | H072 | 118.0° | 120.0° |
| C11 | C10 | C09 | H101 | 180.0° | 180.0° |
| C11 | C10 | C09 | N08 | 178.9° | 179.7° |
| C10 | C11 | C12 | H111 | 180.0° | 180.0° |
| C11 | C10 | C09 | C14 | 0.5° | 0.1° |
| C10 | C11 | C12 | C13 | 0.6° | 0.0° |
| C10 | C11 | C12 | H121 | 179.4° | 180.0° |
| C10 | C09 | N08 | C14 | 179.5° | 179.8° |
| C10 | C09 | N08 | C16 | 179.7° | 179.8° |
| C09 | C10 | C11 | C12 | 0.0° | 0.1° |
| C10 | C09 | C14 | C15 | 179.3° | 180.0° |
| C10 | C09 | C14 | C13 | 0.4° | 0.1° |
| C09 | C10 | C11 | H111 | 180.0° | 179.9° |
| C09 | N08 | C16 | C17 | 179.8° | 179.8° |
| C09 | N08 | C16 | C15 | 0.7° | 0.4° |
| N08 | C09 | C14 | C15 | 0.2° | 0.2° |
| N08 | C09 | C14 | C13 | 179.1° | 179.8° |
| C09 | N08 | C07 | H071 | 178.4° | 30.0° |
| C09 | N08 | C07 | H072 | 62.9° | 150.0° |
| N08 | C09 | C10 | H101 | 1.0° | 0.3° |
| C16 | N08 | C09 | C14 | 0.2° | 0.4° |
| N08 | C16 | C17 | C15 | 179.0° | 179.7° |
| N08 | C16 | C17 | C18 | 155.2° | 150.9° |
| N08 | C16 | C15 | C14 | 0.8° | 0.3° |
| N08 | C16 | C15 | C20 | 179.5° | 179.7° |
| C16 | N08 | C07 | H071 | 1.1° | 150.4° |
| C16 | N08 | C07 | H072 | 117.6° | 30.4° |
| N08 | C16 | C17 | H172 | 84.5° | 89.4° |
| N08 | C16 | C17 | H171 | 34.9° | 31.1° |
| C11 | C12 | C13 | H121 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.6° | 0.1° |
| C12 | C11 | C10 | H101 | 180.0° | 180.0° |
| C11 | C12 | C13 | H131 | 179.4° | 179.9° |
| C09 | C14 | C15 | C16 | 0.7° | 0.1° |
| C09 | C14 | C13 | C12 | 0.2° | 0.0° |
| C09 | C14 | C15 | C13 | 178.6° | 179.9° |
| C09 | C14 | C15 | C20 | 179.7° | 180.0° |
| C14 | C09 | C10 | H101 | 179.5° | 179.9° |
| C09 | C14 | C13 | H131 | 179.9° | 180.0° |
| C16 | C17 | C18 | H172 | 120.3° | 119.8° |
| C16 | C17 | C18 | H171 | 120.3° | 119.9° |
| C17 | C16 | C15 | C14 | 180.0° | 179.9° |
| C17 | C16 | C15 | C20 | 0.3° | 0.1° |
| C16 | C17 | C18 | N19 | 39.6° | 46.5° |
| C16 | C17 | H172 | H171 | 119.1° | 120.4° |
| C16 | C17 | C18 | H182 | 160.3° | 167.4° |
| C16 | C17 | C18 | H181 | 81.0° | 74.3° |
| C15 | C16 | C17 | C18 | 25.8° | 29.4° |
| C16 | C15 | C14 | C20 | 179.7° | 180.0° |
| C16 | C15 | C14 | C13 | 179.2° | 180.0° |
| C16 | C15 | C20 | N19 | 10.6° | 13.0° |
| C16 | C15 | C20 | O21 | 166.4° | 167.0° |
| C15 | C16 | C17 | H172 | 94.5° | 90.4° |
| C15 | C16 | C17 | H171 | 146.1° | 149.2° |
| C17 | C18 | N19 | H182 | 120.6° | 120.9° |
| C17 | C18 | N19 | H181 | 120.6° | 120.8° |
| C17 | C18 | N19 | C20 | 32.2° | 38.7° |
| C18 | C17 | H172 | H171 | 119.1° | 120.3° |
| C17 | C18 | H182 | H181 | 118.1° | 118.3° |
| C17 | C18 | N19 | H191 | 147.8° | 141.3° |
| C12 | C13 | C14 | C15 | 178.3° | 179.9° |
| C12 | C13 | C14 | H131 | 180.0° | 180.0° |
| C13 | C12 | C11 | H111 | 179.4° | 180.0° |
| C14 | C15 | C20 | N19 | 169.0° | 166.9° |
| C14 | C15 | C20 | O21 | 14.0° | 13.1° |
| C15 | C14 | C13 | H131 | 1.7° | 0.1° |
| C13 | C14 | C15 | C20 | 1.1° | 0.0° |
| C14 | C13 | C12 | H121 | 179.3° | 179.9° |
| C15 | C20 | N19 | C18 | 6.4° | 7.7° |
| C15 | C20 | N19 | O21 | 177.2° | 180.0° |
| C15 | C20 | N19 | H191 | 173.6° | 172.3° |
| C18 | N19 | C20 | H191 | 180.0° | 180.0° |
| C18 | N19 | C20 | O21 | 176.4° | 172.3° |
| N19 | C18 | C17 | H172 | 80.7° | 73.3° |
| N19 | C18 | C17 | H171 | 159.9° | 166.4° |
| N19 | C18 | H182 | H181 | 118.1° | 118.4° |
| C20 | N19 | C18 | H182 | 152.8° | 159.6° |
| C20 | N19 | C18 | H181 | 88.4° | 82.1° |
| O21 | C20 | N19 | H191 | 3.6° | 7.7° |
| H013 | C01 | H011 | H012 | 120.0° | 119.9° |
| H041 | C04 | C05 | H051 | 31.4° | 25.3° |
| H042 | C04 | C05 | H051 | 153.6° | 147.9° |
| H051 | C05 | C06 | H062 | 169.1° | 177.3° |
| H051 | C05 | C06 | H061 | 72.7° | 62.7° |
| H051 | C05 | C22 | H221 | 153.7° | 26.2° |
| H051 | C05 | C22 | H222 | 32.2° | 148.1° |
| H062 | C06 | C07 | H071 | 39.9° | 180.0° |
| H062 | C06 | C07 | H072 | 78.7° | 60.0° |
| H061 | C06 | C07 | H071 | 158.1° | 60.1° |
| H061 | C06 | C07 | H072 | 39.4° | 180.0° |
| H101 | C10 | C11 | H111 | 0.0° | 0.0° |
| H111 | C11 | C12 | H121 | 0.6° | 0.0° |
| H121 | C12 | C13 | H131 | 0.7° | 0.1° |
| H172 | C17 | C18 | H182 | 40.0° | 47.6° |
| H172 | C17 | C18 | H181 | 158.7° | 165.9° |
| H171 | C17 | C18 | H182 | 79.5° | 72.7° |
| H171 | C17 | C18 | H181 | 39.3° | 45.5° |
| H182 | C18 | N19 | H191 | 27.2° | 20.4° |
| H181 | C18 | N19 | H191 | 91.6° | 97.9° |
